1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one

C10H20N2O2 — CID 117014863

IUPAC1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
SMILESCOCCN1CC(C)CNCCC1=O
InChIInChI=1S/C10H20N2O2/c1-9-7-11-4-3-10(13)12(8-9)5-6-14-2/h9,11H,3-8H2,1-2H3
InChIKeyIQKRCOXWTGPYEU-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.09
Rot. Bonds3

About 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one

1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one (PubChem CID 117014863) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
PubChem CID117014863
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one
SMILESCOCCN1CC(C)CNCCC1=O
InChIInChI=1S/C10H20N2O2/c1-9-7-11-4-3-10(13)12(8-9)5-6-14-2/h9,11H,3-8H2,1-2H3
InChIKeyIQKRCOXWTGPYEU-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-1-propyl-1,5-diazocan-2-one
CID 117014854
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CID 102569899
1-butyl-6-methyl-1,4-diazepan-2-one
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(4aR,8aS)-1-(2-methoxyethyl)-3,4,4a,5,6,7,8,8a-octahydro-1,6-naphthyridin-2-one
CID 118759721
1-(2-methoxyethyl)-5-oxo-N-(2-piperazin-1-ylethyl)pyrrolidine-3-carboxamide
CID 119444938
1-(2-methoxyethyl)-6-phenylazepan-2-one
CID 22293183
1-(2-methoxyethyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711430
(3R)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylate
CID 7061674
1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 17389931
1-(2-methoxyethyl)-3-methyl-1,4-diazepan-2-one
CID 63258997
1-(2-methoxyethyl)-1,4-diazepane-2,5-dione
CID 64882784

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one?
The IUPAC name of 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one (CID 117014863) is 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one is COCCN1CC(C)CNCCC1=O.
What is the InChIKey of 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one?
The InChIKey is IQKRCOXWTGPYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9-7-11-4-3-10(13)12(8-9)5-6-14-2/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one?
1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one has a molecular weight of 200.28 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-methyl-1,5-diazocan-2-one is sourced from PubChem (CID 117014863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).